(3-methyl-3-oxidanyl-2H-pyridin-5-yl)methyl pyridine-4-carboxylate

Systemtic Name: (3-methyl-3-oxidanyl-2H-pyridin-5-yl)methyl pyridine-4-carboxylate Openeye Name: (3-hydroxy-3-methyl-2H-pyridin-5-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-hydroxy-3-methyl-2H-pyridin-5-yl)methyl ester IUPAC Name: (3-hydroxy-3-methyl-2H-pyridin-5-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-hydroxy-3-methyl-2H-pyridin-5-yl)methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=CC(=C1)COC(=O)C2=CC=NC=C2)O

Isomeric SMILES

CC1(CN=CC(=C1)COC(=O)C2=CC=NC=C2)O

InChI

InChI=1S/C13H14N2O3/c1-13(17)6-10(7-15-9-13)8-18-12(16)11-2-4-14-5-3-11/h2-7,17H,8-9H2,1H3